1-[[4-ethyl-5-[(7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]azepan-2-one

Systemtic Name: 1-[[4-ethyl-5-[(7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]azepan-2-one Openeye Name: 1-[[4-ethyl-5-[(7-methyl-2-oxo-chromen-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]azepan-2-one CAS Name: 1-[[4-ethyl-5-[(7-methyl-2-oxo-1-benzopyran-4-yl)methylthio]-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 1-[[4-ethyl-5-[(7-methyl-2-oxochromen-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]azepan-2-one Traditional Name: 1-[[4-ethyl-5-[(2-keto-7-methyl-chromen-4-yl)methylthio]-1,2,4-triazol-3-yl]methyl]azepan-2-one Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)C)CN4CCCCCC4=O

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)C)CN4CCCCCC4=O

InChI

InChI=1S/C22H26N4O3S/c1-3-26-19(13-25-10-6-4-5-7-20(25)27)23-24-22(26)30-14-16-12-21(28)29-18-11-15(2)8-9-17(16)18/h8-9,11-12H,3-7,10,13-14H2,1-2H3